SCHEMBL410645

SCHEMBL410645

O=C(NCc1cc(C(F)(F)F)on1)c1ccc(OCC2CC2)c(-c2ccc(Cl)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.55
CNR1 P21554 2/20 0.55
PTGER1 P34995 5/20 0.41
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL411579 0.85 CNR2 (0.56) CNR2CNR1PTGER1TP53THRB
SCHEMBL412287 0.80 CNR2 (0.56) CNR2CNR1PTGER1RHOCRHOA
SCHEMBL411128 0.80 CNR2 (0.60) CNR2CNR1PTGER1RHOCRHOA
SCHEMBL412269 0.79 CNR2 (0.56) CNR2CNR1PTGER1
SCHEMBL412264 0.79 CNR2 (0.56) CNR2CNR1PTGER1RHOCRHOA
SCHEMBL412268 0.79 RHOC (0.41) CNR2CNR1RHOCRHOATP53
SCHEMBL411155 0.78 CNR1 (0.62) CNR2CNR1
SCHEMBL410643 0.76 CNR2 (0.43) CNR2CNR1RHOCRHOATP53
SCHEMBL411043 0.74 CNR2 (0.66) CNR2CNR1PTGER1
SCHEMBL412054 0.74 CNR2 (0.43) CNR2CNR1RHOCRHOATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US claimed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR2 435/4885CNR1 269/4885PTGER1 676/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR2 435/4885CNR1 269/4885PTGER1 676/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.